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106863-48-3

106863-48-3 structural image
Product Name: (S)-2-Hydroxyheptanenitrile
Formula: C7H13NO
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COMPUTED DESCRIPTORS

Molecular Weight 127.18 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 127.099714038 g/mol
Monoisotopic Mass 127.099714038 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 103
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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